Vitas-M small molecule compound
N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL307980
SMILES O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)N/N=C/C(=C/c1ccccc1)/Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H28ClN5OS MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5OS/c1-19-12-14-21(15-13-19)25-30-31-26(32(25)23-10-6-3-7-11-23)34-18-24(33)29-28-17-22(27)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,29,33)/b22-16-,28-17+InChIKey
LUTUMTQZYDUOQP-BSZFNXBBSA-NSynonyms
497169-36-5(E)N((Z)2chloro3phenylallylidene)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)acetohydrazide
497169365
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC(=CC4=CC=CC=C4)Cl
InChI=1SC26H28ClN5OSc119121421(151319)25303126(32(25)23106371123)341824(33)29281722(27)16208425920h24589121723H367101118H21H3(H2933)b22162817+
MFCD03222450
N((1E2Z)2chloro3phenylprop2en1ylidene)2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((3Z1E)3CHLORO4PHENYL1AZABUTA13DIENYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)((Z)2chloro3phenylprop2enylidene)amino)2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000013685496
ZINC33910775
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